N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine

C19H29NO — CID 65003229

IUPACN-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
SMILESCCNCC1(c2ccc(C)c(OC)c2)CC2(CCCC2)C1
InChIInChI=1S/C19H29NO/c1-4-20-14-19(12-18(13-19)9-5-6-10-18)16-8-7-15(2)17(11-16)21-3/h7-8,11,20H,4-6,9-10,12-14H2,1-3H3
InChIKeyGUOADEURRVUWGA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.21
Rot. Bonds5

About N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine

N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine (PubChem CID 65003229) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
PubChem CID65003229
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
SMILESCCNCC1(c2ccc(C)c(OC)c2)CC2(CCCC2)C1
InChIInChI=1S/C19H29NO/c1-4-20-14-19(12-18(13-19)9-5-6-10-18)16-8-7-15(2)17(11-16)21-3/h7-8,11,20H,4-6,9-10,12-14H2,1-3H3
InChIKeyGUOADEURRVUWGA-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008450
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
CID 65009660
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[[1-(3,4-dimethoxyphenyl)-3,3-dimethylcyclobutyl]methyl]propan-1-amine
CID 64998019
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine (CID 65003229) is N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine is CCNCC1(c2ccc(C)c(OC)c2)CC2(CCCC2)C1.
What is the InChIKey of N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine?
The InChIKey is GUOADEURRVUWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-14-19(12-18(13-19)9-5-6-10-18)16-8-7-15(2)17(11-16)21-3/h7-8,11,20H,4-6,9-10,12-14H2,1-3H3.
What are the key properties of N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine?
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine is sourced from PubChem (CID 65003229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).